C182H235Cl3N16O13 — CID 161018835
[4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;(2-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;(3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;(4-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;[3-(dimethylamino)phenyl]-(1-propylpiperidin-3-yl)methanone;(1-ethylpiperidin-3-yl)-(6-methoxynaphthalen-2-yl)methanone;(1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone;(3-phenylmethoxyphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone (PubChem CID 161018835) has the molecular formula C182H235Cl3N16O13 and a molecular weight of 2961.34 g/mol. Its IUPAC name is [4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;(2-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;(3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;(4-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;[3-(dimethylamino)phenyl]-(1-propylpiperidin-3-yl)methanone;(1-ethylpiperidin-3-yl)-(6-methoxynaphthalen-2-yl)methanone;(1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone;(3-phenylmethoxyphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone.
| Compound Name | [4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;(2-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;(3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;(4-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;[3-(dimethylamino)phenyl]-(1-propylpiperidin-3-yl)methanone;(1-ethylpiperidin-3-yl)-(6-methoxynaphthalen-2-yl)methanone;(1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone;(3-phenylmethoxyphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone |
|---|---|
| PubChem CID | 161018835 |
| Molecular Formula | C182H235Cl3N16O13 |
| Molecular Weight | 2961.34 g/mol |
| Exact Mass | 2957.73 |
| IUPAC Name | [4-(aminomethyl)naphthalen-2-yl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone;(2-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;(3-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;(4-chlorophenyl)-(1-propylpiperidin-3-yl)methanone;N-[[3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalen-1-yl]methyl]acetamide;[3-(dimethylamino)phenyl]-(1-propylpiperidin-3-yl)methanone;(1-ethylpiperidin-3-yl)-(6-methoxynaphthalen-2-yl)methanone;(1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone;(3-phenylmethoxyphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone |
| SMILES | CC(=O)NCc1cc(C(=O)C2CCCN(CC3CC3)C2)cc2ccccc12.CCCN1CCCC(C(=O)c2ccc(Cl)cc2)C1.CCCN1CCCC(C(=O)c2ccc3c(cnn3C)c2)C1.CCCN1CCCC(C(=O)c2ccc3ncccc3c2)C1.CCCN1CCCC(C(=O)c2cccc(Cl)c2)C1.CCCN1CCCC(C(=O)c2cccc(N(C)C)c2)C1.CCCN1CCCC(C(=O)c2cccc(OCc3ccccc3)c2)C1.CCCN1CCCC(C(=O)c2ccccc2Cl)C1.CCN1CCCC(C(=O)c2ccc3cc(OC)ccc3c2)C1.NCc1cc(C(=O)C2CCCN(CC3CC3)C2)cc2ccccc12 |
| InChI | InChI=1S/C23H28N2O2.C22H27NO2.C21H26N2O.C19H23NO2.C18H22N2O.C17H23N3O.C17H26N2O.3C15H20ClNO/c1-16(26)24-13-21-12-20(11-18-5-2-3-7-22(18)21)23(27)19-6-4-10-25(15-19)14-17-8-9-17;1-2-13-23-14-7-11-20(16-23)22(24)19-10-6-12-21(15-19)25-17-18-8-4-3-5-9-18;22-12-19-11-18(10-16-4-1-2-6-20(16)19)21(24)17-5-3-9-23(14-17)13-15-7-8-15;1-3-20-10-4-5-17(13-20)19(21)16-7-6-15-12-18(22-2)9-8-14(15)11-16;1-2-10-20-11-4-6-16(13-20)18(21)15-7-8-17-14(12-15)5-3-9-19-17;1-3-8-20-9-4-5-14(12-20)17(21)13-6-7-16-15(10-13)11-18-19(16)2;1-4-10-19-11-6-8-15(13-19)17(20)14-7-5-9-16(12-14)18(2)3;1-2-8-17-9-4-6-13(11-17)15(18)12-5-3-7-14(16)10-12;1-2-9-17-10-3-4-13(11-17)15(18)12-5-7-14(16)8-6-12;1-2-9-17-10-5-6-12(11-17)15(18)13-7-3-4-8-14(13)16/h2-3,5,7,11-12,17,19H,4,6,8-10,13-15H2,1H3,(H,24,26);3-6,8-10,12,15,20H,2,7,11,13-14,16-17H2,1H3;1-2,4,6,10-11,15,17H,3,5,7-9,12-14,22H2;6-9,11-12,17H,3-5,10,13H2,1-2H3;3,5,7-9,12,16H,2,4,6,10-11,13H2,1H3;6-7,10-11,14H,3-5,8-9,12H2,1-2H3;5,7,9,12,15H,4,6,8,10-11,13H2,1-3H3;3,5,7,10,13H,2,4,6,8-9,11H2,1H3;5-8,13H,2-4,9-11H2,1H3;3-4,7-8,12H,2,5-6,9-11H2,1H3 |
| InChIKey | TYBXOGSDMRHAOK-UHFFFAOYSA-N |
| XLogP | 36.13 |
| TPSA | 310.63 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 214 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2961.34 |
| LogP ≤ 5 | 36.13 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 28 |